2-(methoxymethyl)-2,5,5-trimethyloxolane

C9H18O2 — CID 23594179

IUPAC2-(methoxymethyl)-2,5,5-trimethyloxolane
SMILESCOCC1(C)CCC(C)(C)O1
InChIInChI=1S/C9H18O2/c1-8(2)5-6-9(3,11-8)7-10-4/h5-7H2,1-4H3
InChIKeyDNUMEILAABLYCS-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.98
Rot. Bonds2

About 2-(methoxymethyl)-2,5,5-trimethyloxolane

2-(methoxymethyl)-2,5,5-trimethyloxolane (PubChem CID 23594179) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(methoxymethyl)-2,5,5-trimethyloxolane.

Molecular Properties

Compound Name2-(methoxymethyl)-2,5,5-trimethyloxolane
PubChem CID23594179
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-(methoxymethyl)-2,5,5-trimethyloxolane
SMILESCOCC1(C)CCC(C)(C)O1
InChIInChI=1S/C9H18O2/c1-8(2)5-6-9(3,11-8)7-10-4/h5-7H2,1-4H3
InChIKeyDNUMEILAABLYCS-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2,5,5-trimethyloxolane?
The IUPAC name of 2-(methoxymethyl)-2,5,5-trimethyloxolane (CID 23594179) is 2-(methoxymethyl)-2,5,5-trimethyloxolane.
What is the SMILES notation for 2-(methoxymethyl)-2,5,5-trimethyloxolane?
The canonical SMILES for 2-(methoxymethyl)-2,5,5-trimethyloxolane is COCC1(C)CCC(C)(C)O1.
What is the InChIKey of 2-(methoxymethyl)-2,5,5-trimethyloxolane?
The InChIKey is DNUMEILAABLYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-8(2)5-6-9(3,11-8)7-10-4/h5-7H2,1-4H3.
What are the key properties of 2-(methoxymethyl)-2,5,5-trimethyloxolane?
2-(methoxymethyl)-2,5,5-trimethyloxolane has a molecular weight of 158.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2,5,5-trimethyloxolane is sourced from PubChem (CID 23594179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).